Information card for entry 1553904

Structure parameters

• Formula: C24 H14 Cl2
• Calculated formula: C24 H14 Cl2
• SMILES: c1(ccc(cc1)C1=C(c2ccc(cc2)Cl)c2c3c1cccc3ccc2)Cl
• Title of publication: Synthesis of mono- and di-arylated acenaphthylenes and programmed access to dibenzo[j,l]fluoranthenes via palladium-catalysed C‒H bond functionalisation
• Authors of publication: Shi, Xinzhe; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 398
• a: 16.8237 ± 0.0012 Å
• b: 11.333 ± 0.0007 Å
• c: 10.2994 ± 0.0008 Å
• α: 90°
• β: 114.382 ± 0.003°
• γ: 90°
• Cell volume: 1788.6 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No